SCHEMBL5227713

SCHEMBL5227713

COc1ccc2c(c1)C(CCNC(=O)Cc1ccccc1)CCO2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
MTNR1A P48039 14/20 0.54
MTNR1B P49286 13/20 0.54
NQO2 P16083 11/20 0.51
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5227718 0.92 HTR1A (0.59) HTR1AMTNR1AMTNR1BNQO2NPC1
SCHEMBL5346153 0.85 MTNR1A (0.47) HTR1AMTNR1AMTNR1BNQO2NPC1
SCHEMBL7198659 0.85 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL5341367 0.85 MTNR1A (0.45) HTR1AMTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL5337503 0.85 MTNR1A (0.45) HTR1AMTNR1AMTNR1BNPC1ALDH1A1
SCHEMBL5223857 0.84 MTNR1A (0.72) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL5225817 0.83 MTNR1A (0.55) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL7022012 0.81 MTNR1A (0.57) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL7021486 0.81 MTNR1A (0.69) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL5419149 0.80 KDM4E (0.50) MTNR1AMTNR1BNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998471-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-03-14 EP disclosed
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 HTR1A 122/4885MTNR1A 1/4885MTNR1B 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.